{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-43m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.811538 0.811538 0.188462 ] [ 0.188462 0.188462 0.188462 ] [ 0.188462 0.811538 0.811538 ] [ 0.811538 0.188462 0.811538 ] [ 0.311538 0.311538 0.688462 ] [ 0.688462 0.688462 0.688462 ] [ 0.688462 0.311538 0.311538 ] [ 0.311538 0.688462 0.311538 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Sb" "Sb" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.25383190768 "source-unit" "angstrom" } }